1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide

C12H22N4O2S — CID 136585396

IUPAC1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide
SMILESCCN1CCC[C@H](NS(=O)(=O)c2cnn(CC)c2)C1
InChIInChI=1S/C12H22N4O2S/c1-3-15-7-5-6-11(9-15)14-19(17,18)12-8-13-16(4-2)10-12/h8,10-11,14H,3-7,9H2,1-2H3/t11-/m0/s1
InChIKeyGLKSLJIQFDNUBK-NSHDSACASA-N
MW286.40 g/mol
LogP0.67
Rot. Bonds5

About 1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide

1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide (PubChem CID 136585396) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide
PubChem CID136585396
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide
SMILESCCN1CCC[C@H](NS(=O)(=O)c2cnn(CC)c2)C1
InChIInChI=1S/C12H22N4O2S/c1-3-15-7-5-6-11(9-15)14-19(17,18)12-8-13-16(4-2)10-12/h8,10-11,14H,3-7,9H2,1-2H3/t11-/m0/s1
InChIKeyGLKSLJIQFDNUBK-NSHDSACASA-N
XLogP0.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide (CID 136585396) is 1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide is CCN1CCC[C@H](NS(=O)(=O)c2cnn(CC)c2)C1.
What is the InChIKey of 1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide?
The InChIKey is GLKSLJIQFDNUBK-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-15-7-5-6-11(9-15)14-19(17,18)12-8-13-16(4-2)10-12/h8,10-11,14H,3-7,9H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide?
1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3S)-1-ethylpiperidin-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 136585396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).